piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate

C25H28FN3O4 — CID 146240953

IUPACpiperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate
SMILESCOc1cc(C2CC(NC(=O)OC3CCCNC3)C(Oc3ccc(C#N)cc3)C2)ccc1F
InChIInChI=1S/C25H28FN3O4/c1-31-23-12-17(6-9-21(23)26)18-11-22(29-25(30)33-20-3-2-10-28-15-20)24(13-18)32-19-7-4-16(14-27)5-8-19/h4-9,12,18,20,22,24,28H,2-3,10-11,13,15H2,1H3,(H,29,30)
InChIKeyOKFSDRFENTYIBA-UHFFFAOYSA-N
MW453.51 g/mol
LogP3.88
Rot. Bonds6

About piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate

piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate (PubChem CID 146240953) has the molecular formula C25H28FN3O4 and a molecular weight of 453.51 g/mol. Its IUPAC name is piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate.

Molecular Properties

Compound Namepiperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate
PubChem CID146240953
Molecular FormulaC25H28FN3O4
Molecular Weight453.51 g/mol
Exact Mass453.21
IUPAC Namepiperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate
SMILESCOc1cc(C2CC(NC(=O)OC3CCCNC3)C(Oc3ccc(C#N)cc3)C2)ccc1F
InChIInChI=1S/C25H28FN3O4/c1-31-23-12-17(6-9-21(23)26)18-11-22(29-25(30)33-20-3-2-10-28-15-20)24(13-18)32-19-7-4-16(14-27)5-8-19/h4-9,12,18,20,22,24,28H,2-3,10-11,13,15H2,1H3,(H,29,30)
InChIKeyOKFSDRFENTYIBA-UHFFFAOYSA-N
XLogP3.88
TPSA92.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.51
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-fluoro-4-methoxyphenoxy)piperidine
CID 84689805
methyl 4-piperidin-3-yloxybenzoate
CID 53410618
(2S,3S)-2,3-dihydroxybutanedioic acid;methyl 2-methoxy-5-piperidin-3-ylbenzoate
CID 18448506
2-fluoro-4-[(3R)-piperidin-3-yl]oxybenzonitrile
CID 86333460
3-[4-methoxy-3-(oxan-3-yloxy)phenyl]piperidine
CID 117470799
tert-butyl N-[(3R)-piperidin-3-yl]carbamate;4-fluoro-3-methoxybenzoic acid
CID 159864662
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
3-methoxy-4-(piperidin-3-ylamino)benzonitrile
CID 104848330
3,5-difluoro-4-piperidin-3-yloxybenzonitrile
CID 81286798
[2-(2-cyanopyrimidin-5-yl)oxy-4-(4-fluorophenyl)cyclopentyl] N-tert-butyl-N-piperidin-3-ylcarbamate
CID 175431158
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082
5-fluoro-2-[(3S)-piperidin-3-yl]oxybenzonitrile
CID 66248002

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate?
The IUPAC name of piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate (CID 146240953) is piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate.
What is the SMILES notation for piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate?
The canonical SMILES for piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate is COc1cc(C2CC(NC(=O)OC3CCCNC3)C(Oc3ccc(C#N)cc3)C2)ccc1F.
What is the InChIKey of piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate?
The InChIKey is OKFSDRFENTYIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O4/c1-31-23-12-17(6-9-21(23)26)18-11-22(29-25(30)33-20-3-2-10-28-15-20)24(13-18)32-19-7-4-16(14-27)5-8-19/h4-9,12,18,20,22,24,28H,2-3,10-11,13,15H2,1H3,(H,29,30).
What are the key properties of piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate?
piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate has a molecular weight of 453.51 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl N-[2-(4-cyanophenoxy)-4-(4-fluoro-3-methoxyphenyl)cyclopentyl]carbamate is sourced from PubChem (CID 146240953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).